BDBM80076 2,3-dimethoxy-5-(2-naphthalenylthio)cyclohexa-2,5-diene-1,4-dione::2,3-dimethoxy-5-(2-naphthylthio)-p-benzoquinone::2,3-dimethoxy-5-naphthalen-2-ylsulfanyl-cyclohexa-2,5-diene-1,4-dione::2,3-dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione::MLS002702089::SMR001565658::cid_314728

SMILES COC1=C(OC)C(=O)C(Sc2ccc3ccccc3c2)=CC1=O

InChI Key InChIKey=JYXVVHHLNIBPJM-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 80076   

TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80076(2,3-dimethoxy-5-(2-naphthalenylthio)cyclohexa-2,5-...)
Affinity DataIC50: >6.66E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80076(2,3-dimethoxy-5-(2-naphthalenylthio)cyclohexa-2,5-...)
Affinity DataIC50:  7.15E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetC-C chemokine receptor type 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80076(2,3-dimethoxy-5-(2-naphthalenylthio)cyclohexa-2,5-...)
Affinity DataIC50:  1.90E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80076(2,3-dimethoxy-5-(2-naphthalenylthio)cyclohexa-2,5-...)
Affinity DataIC50:  3.33E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay